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Results for:
PubChem ID: 6276
Pentan-1-ol
Mass-Spectra
Compound Details
Synonymous names
Butylcarbinol
pentylalcohol
Pentylalkohol
amylalcohol
Amylalkohol
Pentalcohol
AMQJEAYHLZJPGS-UHFFFAOYSA-N
Pentanol
Pentanols
Pentasol
Alcool amylique
Amylol
n-Butylcarbinol
n-pentylalcohol
Valeric alcohol
Butyl carbinol
n-Amylalkohol
Pentyl alcohol
pentyl-alcohol
Amyl alcohol
Primary amyl alcohol
1-hydroxypentyl
Amyl alcohol normal
l-pentanol
n-Pentanol
AC1Q2WLD
Amyl Alcohol Reagent Grade
N-PENTYL ALCOHOL
n-pentyl-alcohol
PE9
1-Pentanol
C5 alcohol
N-Amyl alcohol
Pentanol-1
Amyl alcohol, primary
Primary-N-amyl alcohol
1-Pentyl alcohol
AC1L1M6C
Amyl alcohol, normal
Pentanol, mixture of isomers
1-Pentanol, analytical standard
Alcool amylique (french)
Alcool amylique [French]
KSC222G6D
Pentan-1-ol
ACMC-209oij
Amyl alcohol (natural)
CHEMBL14568
NSC5707
Pentanol (VAN)
Petan-1-ol
UN1105
Amyl Alcohol (Fragrance Grade)
BDBM22603
CTK1C2361
HMDB13036
HSDB 111
N-amylalkohol (czech)
n-Amylalkohol [Czech]
n-C5H11OH
P0055
WLN: Q5
Amyl alcohol, n-
C16834
HMS3039G16
LTBB001118
M9L931X26Y
n-Pentan-1-ol
DTXSID6021741
FEMA Number 2056
LP082894
LP108044
LS-1604
NSC 5707
NSC-5707
STL282712
UNII-2NK7O363Q6 component AMQJEAYHLZJPGS-UHFFFAOYSA-N
1-Pentanol, pharmaceutical secondary standard; traceable to USP
CHEBI:44884
DSSTox_CID_1741
UNII-M9L931X26Y
ZINC1687154
AN-41949
ANW-36041
CJ-27907
DSSTox_GSID_21741
TRA0035736
DSSTox_RID_76301
LMFA05000112
MFCD00002977
MFCD01075169
ZINC01687154
AI3-01293
RTR-023494
TR-023494
1-Pentanol, United States Pharmacopeia (USP) Reference Standard
AKOS009031407
Amyl alcohol, >=99%, FG
BRN 1730975
FEMA No. 2056
FT-0608201
MLS002415674
SMR001370872
71-41-0
Pentanol mixture of isomers, for determination of fat in milk according to Gerber
Tox21_201107
1-Pentanol, ACS reagent, >=99%
F0001-1831
Z1259339786
CAS-71-41-0
MCULE-8714292632
NCGC00091726-01
NCGC00091726-02
NCGC00258659-01
1-Pentanol, ReagentPlus(R), >=99%
EINECS 200-752-1
Pentanols [UN1105] [Flammable liquid]
30899-19-5
EC 200-752-1
1-Pentanol, 98% 500ml
1-Pentanol, SAJ special grade, >=99.0%
MolPort-001-783-728
1-Pentanol, SAJ first grade, >=97.0%
26067-EP2269995A1
26067-EP2272849A1
26067-EP2274983A1
26067-EP2275413A1
26067-EP2281821A1
26067-EP2287147A2
26067-EP2287156A1
26067-EP2287158A1
26067-EP2308857A1
26067-EP2311807A1
26067-EP2311808A1
26067-EP2311829A1
26067-EP2314558A1
26067-EP2371797A1
26067-EP2371798A1
26067-EP2375479A1
28289-EP2287165A2
28289-EP2287166A2
28289-EP2292613A1
28289-EP2292620A2
28289-EP2308848A1
28289-EP2314577A1
33442-EP2295411A1
33442-EP2311815A1
78721-EP2269986A1
78721-EP2272817A1
78721-EP2292616A1
78721-EP2298768A1
78721-EP2301919A1
78721-EP2305667A2
78721-EP2305687A1
78721-EP2380568A1
89671-EP2298749A1
89671-EP2305033A1
37411-22-6 (magnesium salt)
1-Pentanol, p.a., 98.0%
4-01-00-01640 (Beilstein Handbook Reference)
1-Pentanol, puriss. p.a., ACS reagent, >=99.0% (GC)
InChI=1/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H
Microorganism:
Yes
IUPAC name
pentan-1-ol
SMILES
CCCCCO
Inchi
InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
Formula
CH
3
(CH
2
)
3
CH
2
OH
PubChem ID
6276
Molweight
88.15
LogP
1.25
Atoms
18
Bonds
17
H-bond Acceptor
1
H-bond Donor
1
Chemical Classification
alcohols
mVOC Specific Details
Volatilization
The Henry's Law constant for n-pentyl alcohol is 1.3X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that n-pentyl alcohol is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) (2) is estimated as 43 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) (2) is estimated as 23 days(SRC) The potential for volatilization of n-pentyl alcohol from dry soil surfaces may exist(SRC) based upon a vapor pressure of 2.2 mm Hg(3).
Literature:
(1) Butler JAV et al. J Chem Soc 280-285 (1935) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Riddick JA et al; Organic Solvents Vol 2 4th ed. NY, NY: John Wiley & Sons, p. 205-7 (1986)
Soil Adsorption
The Koc of n-pentyl alcohol is estimated as 160(SRC), using a log Kow of 1.51(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that n-pentyl alcohol is expected to have moderate mobility in soil.
Literature:
(1) Sangster J; LOGKOW Databank. A databank of evaluated octanol-water partition coefficients (Log P) on microcomputer diskette. Montreal, Quebec, Canada: Sangster Research Laboratories (1994) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods NY, NY: McGraw-Hill pp. 4-9 (1982) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
Pressure
Reference
2.2 mm Hg at 25 deg C
Riddick, J.A., W.B. Bunger, Sakano T.K. Techniques of Chemistry 4th ed., Volume II. Organic Solvents. New York, NY: John Wiley and Sons., 1985., p. 207
MS-Links
MS-MS Spectrum 167221
MS-MS Spectrum 167220
MS-MS Spectrum 167222
MS-MS Spectrum 101579
MS-MS Spectrum 101578
MS-MS Spectrum 101577
1D-NMR-Links
1D NMR Spectrum 3967
1D NMR Spectrum 4251
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Bacteria
Bacillus Amyloliquefaciens IN937a
n/a
Lee et al., 2012
Bacteria
Bacillus Subtilis GB03
n/a
Lee et al., 2012
Bacteria
Clostridium Difficile
outbreak 2006 UK
Rees et al 2016
Bacteria
Lactobacillus Sakei CIRM467T
na
Sake starter
PogaÄić et al., 2016
Fungi
Chaetomium Globosum
Schleibinger et al.,2005
Fungi
Muscodor Albus CZ-620
n/a
Corcuff et al., 2011
Fungi
Trichodema Pseudokoningii
n/a
Wheatley et al., 1997
Fungi
Xylaria Sp.
na
Haematoxylon brasiletto, Morelos, Mexico
Sánchez-Ortiz et al., 2016
Fungi
Armillaria Mellea
n/a
Mueller et al., 2013
Fungi
Aspergillus Flavus NRRL 18543
n/a
Beck et al., 2012
Fungi
Aspergillus Flavus NRRL 25347
n/a
Beck et al., 2012
Fungi
Aspergillus Niger NRRL 326
n/a
Beck et al., 2012
Fungi
Aspergillus Parasiticus NRRL 5862
n/a
Beck et al., 2012
Fungi
Fusarium Graminearum 15AcDON
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON 1001ta
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON ZFR 29
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_4
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_5
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_6
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_7
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_8
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_9
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON 1002t
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON 11791
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON 1509
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON 8046
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON NRRL38369
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON NRRL6394
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON ZFR 15
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON ZFR 37
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON ZFR 51
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV ZFR 119
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV ZFR 23
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV ZFR 48
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV_5
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV_6
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV_7
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV_8
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV_9
n/a
Busko et al., 2014
Fungi
Penicillium Glabrum NRRL 766
n/a
Beck et al., 2012
Fungi
Pholiota Squarrosa
n/a
Mueller et al., 2013
Fungi
Pleurotus Cystidiosus
na
na
Usami et al., 2014
Fungi
Pleurotus Eryngii Var. Tuoliensis
na
na
Usami et al., 2014
Fungi
Rhizopus Stolonifer NRRL 54667
n/a
Beck et al., 2012
Fungi
Stropharia Rugosoannulata
n/a
Mueller et al., 2013
Fungi
Trichoderma Viride
n/a
Mueller et al., 2013
Fungi
Tuber Indicum
n/a
Splivallo et al., 2007
Fungi
Verticillium Longisporum
n/a
Mueller et al., 2013
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Bacteria
Bacillus Amyloliquefaciens IN937a
Tryptic soy agar
SPME coupled with GC-MS
Bacteria
Bacillus Subtilis GB03
Tryptic soy agar
SPME coupled with GC-MS
Bacteria
Clostridium Difficile
brain heart infusion
GCxGC-TOF-MS
yes
Bacteria
Lactobacillus Sakei CIRM467T
curd-based broth medium
GC/MS
Yes
Fungi
Chaetomium Globosum
ingrain wallpaper
GC/MS-SIM
Yes
Fungi
Muscodor Albus CZ-620
n/a
Headspace sampler/GC-MS
Fungi
Trichodema Pseudokoningii
Low medium
GC/MS
Fungi
Xylaria Sp.
PDA medium
SPME-GC/MS
Yes
Fungi
Armillaria Mellea
Melin-Nor krans synthetic medium (modified)
Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi
Aspergillus Flavus NRRL 18543
potato dextrose agar and Polyunsaturated Fatty Acids
SPME/ GC-MS
Fungi
Aspergillus Flavus NRRL 25347
potato dextrose agar and Polyunsaturated Fatty Acids
SPME/ GC-MS
Fungi
Aspergillus Niger NRRL 326
potato dextrose agar and Polyunsaturated Fatty Acids
SPME/ GC-MS
Fungi
Aspergillus Parasiticus NRRL 5862
potato dextrose agar and Polyunsaturated Fatty Acids
SPME/ GC-MS
Fungi
Fusarium Graminearum 15AcDON
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON 1001ta
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON ZFR 29
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_4
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_5
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_6
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_7
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_8
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_9
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON 1002t
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON 11791
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON 1509
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON 8046
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON NRRL38369
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON NRRL6394
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON ZFR 15
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON ZFR 37
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON ZFR 51
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV ZFR 119
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV ZFR 23
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV ZFR 48
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV_5
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV_6
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV_7
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV_8
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV_9
yeast extract sucrose agar
SPME/GC-MS
Fungi
Penicillium Glabrum NRRL 766
potato dextrose agar and Polyunsaturated Fatty Acids
SPME/ GC-MS
Fungi
Pholiota Squarrosa
Melin-Nor krans synthetic medium (modified)
Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi
Pleurotus Cystidiosus
na
GC/MS, GC-O, AEDA
No
Fungi
Pleurotus Eryngii Var. Tuoliensis
na
GC/MS, GC-O, AEDA
No
Fungi
Rhizopus Stolonifer NRRL 54667
potato dextrose agar and Polyunsaturated Fatty Acids
SPME/ GC-MS
Fungi
Stropharia Rugosoannulata
Melin-Nor krans synthetic medium (modified)
Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi
Trichoderma Viride
Melin-Nor krans synthetic medium (modified)
Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi
Tuber Indicum
n/a
n/a
Fungi
Verticillium Longisporum
Melin-Nor krans synthetic medium (modified)
Headspace trapping ( using stir bar sorptive extraction )/ GC-MS